Geometry & MOs

Info

ID:	29599
PubChem CID:	835717
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	244.089958
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	3.12
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations